[3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol

C18H26O3 — CID 102898668

IUPAC[3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
SMILESCc1cccc(CO)c1OCC1CCC2(CCCCC2)O1
InChIInChI=1S/C18H26O3/c1-14-6-5-7-15(12-19)17(14)20-13-16-8-11-18(21-16)9-3-2-4-10-18/h5-7,16,19H,2-4,8-13H2,1H3
InChIKeyGYFCHVVPMBPLNN-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.75
Rot. Bonds4

About [3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol

[3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol (PubChem CID 102898668) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is [3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
PubChem CID102898668
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name[3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
SMILESCc1cccc(CO)c1OCC1CCC2(CCCCC2)O1
InChIInChI=1S/C18H26O3/c1-14-6-5-7-15(12-19)17(14)20-13-16-8-11-18(21-16)9-3-2-4-10-18/h5-7,16,19H,2-4,8-13H2,1H3
InChIKeyGYFCHVVPMBPLNN-UHFFFAOYSA-N
XLogP3.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898673
[3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898609
[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898603
2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898765
[5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
CID 107698517
[6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol
CID 102898657
3-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896207
1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
CID 102846916
N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 116520893
3-methyl-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896191
1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
CID 102846311
4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one
CID 102898126

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol?
The IUPAC name of [3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol (CID 102898668) is [3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol?
The canonical SMILES for [3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol is Cc1cccc(CO)c1OCC1CCC2(CCCCC2)O1.
What is the InChIKey of [3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol?
The InChIKey is GYFCHVVPMBPLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-14-6-5-7-15(12-19)17(14)20-13-16-8-11-18(21-16)9-3-2-4-10-18/h5-7,16,19H,2-4,8-13H2,1H3.
What are the key properties of [3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol?
[3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol has a molecular weight of 290.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 102898668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).